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methyl 3-bromopyrrolo[1,2-a]pyrimidine-6-carboxylate

methyl 3-bromopyrrolo[1,2-a]pyrimidine-6-carboxylate

CAS: 1315360-45-2

Formula: C9H7BrN2O2

SMILES: COC(=O)C1=CC=C2N=CC(Br)=CN12

IUPAC: methyl 3-bromopyrrolo[1,2-a]pyrimidine-6-carboxylate

InChI: InChI=1S/C9H7BrN2O2/c1-14-9(13)7-2-3-8-11-4-6(10)5-12(7)8/h2-5H,1H3

Composition: C (42.38%), H (2.77%), Br (31.33%), N (10.98%), O (12.54%)

Molar Mass: 255.071

Atom Count: 21

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 253.96909
Formal Charge 0
FSP3 0.11
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey NMJBYRYJXBJJGF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 55.46
Topological Polar Surface Area 43.6
Polarizability 20.67
Ring Count 2
Rotatable Bond Count 2

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Purity (%)
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Purity LeadTime CAS PacketSize UnitPrice
96% <2 Days 1315360-45-2 $207.00-$5,612.00$207.00$299.00$483.00$851.00$1,587.00$5,612.00
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